ethyl 4-[[5-(5-methylthiophen-2-yl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[[5-(5-methylthiophen-2-yl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[[5-(5-methyl-2-thienyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[[5-(5-methyl-2-thiophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[5-(5-methylthiophen-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[[4-keto-5-(5-methyl-2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C19H23N4O3S2+ MolecularWeight: 419.54092

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC2=NC3=C(C(=CS3)C4=CC=C(S4)C)C(=O)N2

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC2=NC3=C(C(=CS3)C4=CC=C(S4)C)C(=O)N2

InChI

InChI=1S/C19H22N4O3S2/c1-3-26-19(25)23-8-6-22(7-9-23)10-15-20-17(24)16-13(11-27-18(16)21-15)14-5-4-12(2)28-14/h4-5,11H,3,6-10H2,1-2H3,(H,20,21,24)/p+1